4-phenanthren-3-yl-2-phenyl-6-(4-phenyldibenzofuran-1-yl)-1,4-dihydro-1,3,5-triazine

C41H27N3O — CID 170246119

IUPAC4-phenanthren-3-yl-2-phenyl-6-(4-phenyldibenzofuran-1-yl)-1,4-dihydro-1,3,5-triazine
SMILESc1ccc(C2=NC(c3ccc4ccc5ccccc5c4c3)N=C(c3ccc(-c4ccccc4)c4oc5ccccc5c34)N2)cc1
InChIInChI=1S/C41H27N3O/c1-3-11-26(12-4-1)32-23-24-34(37-33-17-9-10-18-36(33)45-38(32)37)41-43-39(29-14-5-2-6-15-29)42-40(44-41)30-22-21-28-20-19-27-13-7-8-16-31(27)35(28)25-30/h1-25,40H,(H,42,43,44)
InChIKeyPKKBLKIVUKGXGV-UHFFFAOYSA-N
MW577.69 g/mol
LogP10.05
Rot. Bonds4

About 4-phenanthren-3-yl-2-phenyl-6-(4-phenyldibenzofuran-1-yl)-1,4-dihydro-1,3,5-triazine

4-phenanthren-3-yl-2-phenyl-6-(4-phenyldibenzofuran-1-yl)-1,4-dihydro-1,3,5-triazine (PubChem CID 170246119) has the molecular formula C41H27N3O and a molecular weight of 577.69 g/mol. Its IUPAC name is 4-phenanthren-3-yl-2-phenyl-6-(4-phenyldibenzofuran-1-yl)-1,4-dihydro-1,3,5-triazine.

Molecular Properties

Compound Name4-phenanthren-3-yl-2-phenyl-6-(4-phenyldibenzofuran-1-yl)-1,4-dihydro-1,3,5-triazine
PubChem CID170246119
Molecular FormulaC41H27N3O
Molecular Weight577.69 g/mol
Exact Mass577.22
IUPAC Name4-phenanthren-3-yl-2-phenyl-6-(4-phenyldibenzofuran-1-yl)-1,4-dihydro-1,3,5-triazine
SMILESc1ccc(C2=NC(c3ccc4ccc5ccccc5c4c3)N=C(c3ccc(-c4ccccc4)c4oc5ccccc5c34)N2)cc1
InChIInChI=1S/C41H27N3O/c1-3-11-26(12-4-1)32-23-24-34(37-33-17-9-10-18-36(33)45-38(32)37)41-43-39(29-14-5-2-6-15-29)42-40(44-41)30-22-21-28-20-19-27-13-7-8-16-31(27)35(28)25-30/h1-25,40H,(H,42,43,44)
InChIKeyPKKBLKIVUKGXGV-UHFFFAOYSA-N
XLogP10.05
TPSA49.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500577.69
LogP ≤ 510.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

4-(4-phenanthren-2-ylphenyl)-2-phenyl-6-(4-phenyldibenzofuran-1-yl)-1,4-dihydro-1,3,5-triazine
CID 176616944
2-naphthalen-2-yl-6-(4-phenyldibenzofuran-1-yl)-4-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazine
CID 170266454
4-phenanthren-2-yl-2-phenyl-6-(3-phenyldibenzofuran-1-yl)-1,4-dihydro-1,3,5-triazine
CID 170289982
4-dibenzofuran-2-yl-2-(6-naphthalen-2-yldibenzofuran-1-yl)-6-phenyl-1,4-dihydro-1,3,5-triazine
CID 170293740
4-naphthalen-2-yl-2-(3-phenyldibenzofuran-1-yl)-6-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazine
CID 174327608
4-dibenzofuran-2-yl-2-(7-naphthalen-2-yldibenzofuran-1-yl)-6-phenyl-1,4-dihydro-1,3,5-triazine
CID 170249185
2-dibenzofuran-1-yl-6-naphthalen-2-yl-4-(4-naphthalen-1-ylphenyl)-1,4-dihydro-1,3,5-triazine
CID 171054220
4-dibenzofuran-3-yl-2-(5-dibenzofuran-1-ylnaphthalen-1-yl)-6-phenyl-1,4-dihydro-1,3,5-triazine
CID 170295943
4-(3-naphtho[2,1-b][1]benzofuran-11-ylphenyl)-2,6-diphenyl-1,4-dihydro-1,3,5-triazine
CID 142294091
4-(6-dibenzofuran-4-yldibenzofuran-1-yl)-2-phenanthren-3-yl-6-phenyl-1,4-dihydro-1,3,5-triazine
CID 167419816
2-phenyl-4-(4-phenylphenyl)-6-[3-(4-phenylphenyl)dibenzofuran-1-yl]-1,4-dihydro-1,3,5-triazine
CID 170246810
4-dibenzofuran-3-yl-2-phenyl-6-(9-phenyldibenzofuran-3-yl)-1,4-dihydro-1,3,5-triazine
CID 166961082

Frequently Asked Questions

What is the IUPAC name of 4-phenanthren-3-yl-2-phenyl-6-(4-phenyldibenzofuran-1-yl)-1,4-dihydro-1,3,5-triazine?
The IUPAC name of 4-phenanthren-3-yl-2-phenyl-6-(4-phenyldibenzofuran-1-yl)-1,4-dihydro-1,3,5-triazine (CID 170246119) is 4-phenanthren-3-yl-2-phenyl-6-(4-phenyldibenzofuran-1-yl)-1,4-dihydro-1,3,5-triazine.
What is the SMILES notation for 4-phenanthren-3-yl-2-phenyl-6-(4-phenyldibenzofuran-1-yl)-1,4-dihydro-1,3,5-triazine?
The canonical SMILES for 4-phenanthren-3-yl-2-phenyl-6-(4-phenyldibenzofuran-1-yl)-1,4-dihydro-1,3,5-triazine is c1ccc(C2=NC(c3ccc4ccc5ccccc5c4c3)N=C(c3ccc(-c4ccccc4)c4oc5ccccc5c34)N2)cc1.
What is the InChIKey of 4-phenanthren-3-yl-2-phenyl-6-(4-phenyldibenzofuran-1-yl)-1,4-dihydro-1,3,5-triazine?
The InChIKey is PKKBLKIVUKGXGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H27N3O/c1-3-11-26(12-4-1)32-23-24-34(37-33-17-9-10-18-36(33)45-38(32)37)41-43-39(29-14-5-2-6-15-29)42-40(44-41)30-22-21-28-20-19-27-13-7-8-16-31(27)35(28)25-30/h1-25,40H,(H,42,43,44).
What are the key properties of 4-phenanthren-3-yl-2-phenyl-6-(4-phenyldibenzofuran-1-yl)-1,4-dihydro-1,3,5-triazine?
4-phenanthren-3-yl-2-phenyl-6-(4-phenyldibenzofuran-1-yl)-1,4-dihydro-1,3,5-triazine has a molecular weight of 577.69 g/mol, XLogP of 10.05, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenanthren-3-yl-2-phenyl-6-(4-phenyldibenzofuran-1-yl)-1,4-dihydro-1,3,5-triazine is sourced from PubChem (CID 170246119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).